N-cyclopentyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopentyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-cyclopentyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-cyclopentyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-cyclopentyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-cyclopentyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C15H23N4S+ MolecularWeight: 291.43492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H22N4S/c20-15(17-13-5-1-2-6-13)19-11-9-18(10-12-19)14-7-3-4-8-16-14/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,17,20)/p+1